ADH-503 - 10mM in DMSO , CAS No.2055362-74-6

CAS: 2055362-74-6 Cat. No.: A422492 Fórmula: C₂₇H₂₈N₂O₅S₂ Peso molecular: 524.65 PubChem CID: 145711124

CALIDAD & PUREZA 10mM in DMSO

Synonyms

2055362-74-6|ADH-503|2-Hydroxy-N,N,N-trimethylethan-1-aminium (Z)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate|THN3VQ67CA|ADH503|UNII-THN3VQ67CA|4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]f

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

ADH-503 ADH-503 ((Z)-Leukadherin-1 choline) is an orally active and allosteric agonist of CD11b. ADH-503 leads to the repolarization of tumor-associated macrophages, reduction in the number of tumor-infiltrating immunosuppressive myeloid cells, and enhances dendritic cell responses.

Especificaciones

Sinónimos

2055362-74-6 | ADH-503 | 2-Hydroxy-N,N,N-trimethylethan-1-aminium (Z)-4-(5-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoate | THN3VQ67CA | ADH503 | UNII-THN3VQ67CA | 4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]f

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

ADH-503 ((Z)-Leukadherin-1 choline) is an orally active and allosteric agonist of CD11b. ADH-503 leads to the repolarization of tumor-associated macrophages, reduction in the number of tumor-infiltrating immunosuppressive myeloid cells, and enhances dendr

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Tipo de acción

AGONIST

Nombres e identificadores

Pubchem Sid

528763028

Sonrisas canónicas

C[N+](C)(C)CCO.C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])SC2=S

IUPAC Name

4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate;2-hydroxyethyl(trimethyl)azanium

InChIKey

GOWDQYRMBCOOJR-JHMJKTBASA-M

INCHI

1S/C22H15NO4S2.C5H14NO/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26;1-6(2,3)4-5-7/h1-12H,13H2,(H,25,26);7H,4-5H2,1-3H3/q;+1/p-1/b19-12-;

Isómeros SMILES

C[N+](C)(C)CCO.C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])/SC2=S

PubChem CID

145711124

Peso molecular

524.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Cholines Thiazolidinethiones Tetraalkylammonium salts Heteroaromatic compounds Furans Cyclic dithiocarbamic acid esters Carboxylic acid salts 1,2-aminoalcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organosulfur compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzoic acid - Benzoyl - Choline - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Tetraalkylammonium salt - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Quaternary ammonium salt - Furan - Carboxylic acid salt - 1,2-aminoalcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 524.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 524.144 Da
• Monoisotopic Mass: 524.144 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 721.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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